3-amino-3-carbamoylpentanedioic acid

C6H10N2O5 — CID 174790870

IUPAC3-amino-3-carbamoylpentanedioic acid
SMILESNC(=O)C(N)(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H10N2O5/c7-5(13)6(8,1-3(9)10)2-4(11)12/h1-2,8H2,(H2,7,13)(H,9,10)(H,11,12)
InChIKeyXSLXXQGXVAZSSB-UHFFFAOYSA-N
MW190.15 g/mol
LogP-1.88
Rot. Bonds5

About 3-amino-3-carbamoylpentanedioic acid

3-amino-3-carbamoylpentanedioic acid (PubChem CID 174790870) has the molecular formula C6H10N2O5 and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-amino-3-carbamoylpentanedioic acid.

Molecular Properties

Compound Name3-amino-3-carbamoylpentanedioic acid
PubChem CID174790870
Molecular FormulaC6H10N2O5
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name3-amino-3-carbamoylpentanedioic acid
SMILESNC(=O)C(N)(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H10N2O5/c7-5(13)6(8,1-3(9)10)2-4(11)12/h1-2,8H2,(H2,7,13)(H,9,10)(H,11,12)
InChIKeyXSLXXQGXVAZSSB-UHFFFAOYSA-N
XLogP-1.88
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride
CID 141270736
3,5-diamino-3,5-bis(carboxymethyl)heptanedioic acid
CID 11162546
2-amino-2-(cyanomethyl)butanedioic acid
CID 19432074
2-amino-2-hydroxybutanedioic acid
CID 10313218
2-amino-2-ethylbutanamide;ethane
CID 176999268
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
3-amino-3-methylheptanoic acid
CID 53262232
(2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide
CID 87585546
2,2-dimethylbutanedioic acid;hydrochloride
CID 87625816
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
3-amino-3,4-dimethylpentanoic acid
CID 53414110
3-amino-3-propylhexanoic acid
CID 64665150

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-carbamoylpentanedioic acid?
The IUPAC name of 3-amino-3-carbamoylpentanedioic acid (CID 174790870) is 3-amino-3-carbamoylpentanedioic acid.
What is the SMILES notation for 3-amino-3-carbamoylpentanedioic acid?
The canonical SMILES for 3-amino-3-carbamoylpentanedioic acid is NC(=O)C(N)(CC(=O)O)CC(=O)O.
What is the InChIKey of 3-amino-3-carbamoylpentanedioic acid?
The InChIKey is XSLXXQGXVAZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O5/c7-5(13)6(8,1-3(9)10)2-4(11)12/h1-2,8H2,(H2,7,13)(H,9,10)(H,11,12).
What are the key properties of 3-amino-3-carbamoylpentanedioic acid?
3-amino-3-carbamoylpentanedioic acid has a molecular weight of 190.15 g/mol, XLogP of -1.88, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-carbamoylpentanedioic acid is sourced from PubChem (CID 174790870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).